[edge] integer – size of the cubic grid (number of grid points, equal in -x, -y and -z directions)
this parameter defines the sizes of scalar data grids produced by Surface Diver
[irad] float – inflation radius
the radius of each atom present in the system will be increased by the value given with the [irad] keyword
[rmax] float – maximal radius used for decomposition
this parameter defines also the sizes of scalar data grids produced by Surface Driver (if the electrostatic potential file is not present), i.e. the edge of the cubic box is twice the value given with the [rmax] keyword
[spho] integer – order of the spherical harmonic decomposition
[nsph] iteger – number of spherical surfaces used for decomposition
[grid] string – name of the DX file with the electrostatic potential
if no such file is present, the value of the [grid] keyword should be ‘skip’
if the user provides the electrostatic potential file, the scalar data grids produced by Surface Diver will be of the same size and will contain the same number of points as the supplied electrostatic potential grid (grid parameters given in the input file will be overridden by those found in the electrostatic potential grid file)